SCHEMBL20006995

SCHEMBL20006995

CC(CO)C1CCc2cc(F)ccc2O1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 2/20 0.62
DRD2 P14416 2/20 0.62
HTR2A P28223 2/20 0.62
MLNR O43193 1/20 0.62
ADRB2 P07550 1/20 0.62
ADRB1 P08588 1/20 0.62
ADRA2A P08913 1/20 0.62
ADORA3 P0DMS8 1/20 0.62
CHRM1 P11229 1/20 0.62
KCNE1 P15382 1/20 0.62
ADRA2B P18089 1/20 0.62
ADRA2C P18825 1/20 0.62
CNR1 P21554 1/20 0.62
SLC6A2 P23975 1/20 0.62
NPY1R P25929 1/20 0.62
HTR2C P28335 1/20 0.62
AVPR2 P30518 1/20 0.62
SLC6A4 P31645 1/20 0.62
ADRA1A P35348 1/20 0.62
OPRM1 P35372 1/20 0.62

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL12434458 1.00 HTR1A (0.62) HTR1ADRD2HTR2AMLNRADRB2
SCHEMBL10441439 0.87 HTR1A (0.60) HTR1ADRD2HTR2AMLNRADRB2
SCHEMBL14069704 0.86 HTR1A (0.59) HTR1ADRD2HTR2AMLNRADRB2
SCHEMBL18697462 0.86 HTR1A (0.59) HTR1ADRD2HTR2AMLNRADRB2
SCHEMBL23940467 0.85 DRD2 (0.62) HTR1ADRD2HTR2AMLNRADRB2
SCHEMBL20006756 0.85 DRD2 (0.62) HTR1ADRD2HTR2AMLNRADRB2
SCHEMBL14069703 0.85 HTR1A (0.72) HTR1ADRD2HTR2AMLNRADRB2
SCHEMBL2282050 0.84 DRD2 (0.76) HTR1ADRD2HTR2AMLNRADRB2
SCHEMBL2256343 0.84 DRD2 (0.76) HTR1ADRD2HTR2AMLNRADRB2
SCHEMBL19988042 0.84 DRD2 (0.76) HTR1ADRD2HTR2AMLNRADRB2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3974419-A2 NEBIVOLOL SYNTHESIS METHOD AND INTERMEDIATE COMPOUND THEREOF Zhejiang Ausun Pharmaceutical Co., Ltd. (CN) 2022-03-30 EP disclosed
EP-3299364-B1 NEBIVOLOL SYNTHESIS METHOD AND INTERMEDIATE COMPOUND THEREOF ZHEJIANG AUSUN PHARMACEUTICAL CO LTD (CN) 2021-10-20 EP disclosed
EP-3299364-A1 NEBIVOLOL SYNTHESIS METHOD AND INTERMEDIATE COMPOUND THEREOF Zhejiang Ausun Pharmaceutical Co., Ltd. (CN) 2018-03-28 EP disclosed